N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide

C16H19N3O3 — CID 82022486

IUPACN-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCC(C)O)nc2)c1
InChIInChI=1S/C16H19N3O3/c1-11(20)9-17-15-7-6-13(10-18-15)19-16(21)12-4-3-5-14(8-12)22-2/h3-8,10-11,20H,9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyKCFDVPOHMPANJP-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.14
Rot. Bonds6

About N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide

N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 82022486) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID82022486
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCC(C)O)nc2)c1
InChIInChI=1S/C16H19N3O3/c1-11(20)9-17-15-7-6-13(10-18-15)19-16(21)12-4-3-5-14(8-12)22-2/h3-8,10-11,20H,9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyKCFDVPOHMPANJP-UHFFFAOYSA-N
XLogP2.14
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
CID 82022480

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide (CID 82022486) is N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NCC(C)O)nc2)c1.
What is the InChIKey of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is KCFDVPOHMPANJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(20)9-17-15-7-6-13(10-18-15)19-16(21)12-4-3-5-14(8-12)22-2/h3-8,10-11,20H,9H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide?
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 301.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 82022486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).